4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine

C14H22N6S — CID 80829137

IUPAC4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCc2cc(C)c(C)s2)n1
InChIInChI=1S/C14H22N6S/c1-5-20(6-2)14-18-12(15)17-13(19-14)16-8-11-7-9(3)10(4)21-11/h7H,5-6,8H2,1-4H3,(H3,15,16,17,18,19)
InChIKeyLWVFZWNQCFEJON-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.59
Rot. Bonds6

About 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine

4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80829137) has the molecular formula C14H22N6S and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80829137
Molecular FormulaC14H22N6S
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC Name4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCc2cc(C)c(C)s2)n1
InChIInChI=1S/C14H22N6S/c1-5-20(6-2)14-18-12(15)17-13(19-14)16-8-11-7-9(3)10(4)21-11/h7H,5-6,8H2,1-4H3,(H3,15,16,17,18,19)
InChIKeyLWVFZWNQCFEJON-UHFFFAOYSA-N
XLogP2.59
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 65245675
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80842748
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80931350
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80833177
2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80751307
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165
2-N,2-N-diethyl-4-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804048
2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80801144
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80788682
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (CID 80829137) is 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(NCc2cc(C)c(C)s2)n1.
What is the InChIKey of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LWVFZWNQCFEJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6S/c1-5-20(6-2)14-18-12(15)17-13(19-14)16-8-11-7-9(3)10(4)21-11/h7H,5-6,8H2,1-4H3,(H3,15,16,17,18,19).
What are the key properties of 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80829137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).